Exact Mass: 254.2066
Exact Mass Matches: 254.2066
Found 500 metabolites which its exact mass value is equals to given mass value 254.2066,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Palmitoleic acid
Cis-9-palmitoleic acid, also known as palmitoleate or (Z)-9-hexadecenoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, cis-9-palmitoleic acid is considered to be a fatty acid lipid molecule. Cis-9-palmitoleic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Cis-9-palmitoleic acid can be found in a number of food items such as mixed nuts, carrot, hedge mustard, and chanterelle, which makes cis-9-palmitoleic acid a potential biomarker for the consumption of these food products. Cis-9-palmitoleic acid can be found primarily in most biofluids, including urine, blood, saliva, and feces, as well as in human adipose tissue, prostate and skeletal muscle tissues. Cis-9-palmitoleic acid exists in all living species, ranging from bacteria to humans. Moreover, cis-9-palmitoleic acid is found to be associated with isovaleric acidemia. Palmitoleic acid, or (9Z)-hexadec-9-enoic acid, is an omega-7 monounsaturated fatty acid (16:1n-7) with the formula CH3(CH2)5CH=CH(CH2)7COOH that is a common constituent of the glycerides of human adipose tissue. Present in all tissues, it is generally found in higher concentrations in the liver. Macadamia oil (Macadamia integrifolia) and sea buckthorn oil (Hippophae rhamnoides) are botanical sources of palmitoleic acid, containing 22 and 40\\\\\% respectively. Palmitoleic acid is found to be associated with isovaleric acidemia, which is an inborn error of metabolism. Palmitoleic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=373-49-9 (retrieved 2024-07-15) (CAS RN: 373-49-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats. Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats.
(E)-6-Hexadecenoic acid
(E)-6-Hexadecenoic acid is found in herbs and spices. (E)-6-Hexadecenoic acid is a constituent of parsley oil Constituent of parsley oil. (E)-6-Hexadecenoic acid is found in herbs and spices.
Hexadecenoic acid
A C16 straight-chain monounsaturated fatty acid having one C=C double bond.
Hypogeic acid
7z-palmitoleic acid, also known as (Z)-7-hexadecenoic acid or 16:1 cis7, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, 7z-palmitoleic acid is considered to be a fatty acid lipid molecule. 7z-palmitoleic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 7z-palmitoleic acid can be found in peanut, which makes 7z-palmitoleic acid a potential biomarker for the consumption of this food product. 7z-palmitoleic acid can be found primarily in blood. Hypogeic acid is a fatty acids found in human milk Approximately 50\\% of the dietary calories in human milk are supplied to new-borns as fat. More than 98\\% of this milk fat is in the form of triglycerides, which contain fatty acid glycerol esters. Fatty acid composition in human milk changes in colostrum, transitional milk and mature milk. Knowledge of fatty acid composition of human milk is of importance for the manufacture of infant formulas, determination of the influence of diet in fatty acid composition of human milk and changes in composition with lactation. (CAN 136:246580, AN 2002:67899).
Trans-Hexa-dec-2-enoic acid
Trans-hexa-dec-2-enoic acid, also known as hexadecenoic acid, (E)-isomer or (2e)-hexadecenoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, trans-hexa-dec-2-enoic acid is considered to be a fatty acid lipid molecule. Trans-hexa-dec-2-enoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Trans-hexa-dec-2-enoic acid can be found in caraway, which makes trans-hexa-dec-2-enoic acid a potential biomarker for the consumption of this food product. Trans-hexa-dec-2-enoic acid exists in all eukaryotes, ranging from yeast to humans. In humans, trans-hexa-dec-2-enoic acid is involved in the fatty acid biosynthesis. In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. Trans-hexa-dec-2-enoic acid is an intermediate in fatty acid biosynthesis. Specifically, trans-hexa-dec-2-enoic acid converted from (R)-3-Hydroxy-hexadecanoic acid via two enzymes; fatty-acid Synthase and 3- Hydroxypalmitoyl- [acyl-carrier-protein] dehydratase (EC: 2.3.1.85 and EC: 4.2.1.61).
(3beta,9beta)-7-Drimene-3,11,12-triol
(3beta,9beta)-7-Drimene-3,11,12-triol is found in mushrooms. (3beta,9beta)-7-Drimene-3,11,12-triol is a constituent of Marasmius oreades (fairy ring mushroom) Constituent of Marasmius oreades (fairy ring mushroom). (3beta,9beta)-7-Drimene-3,11,12-triol is found in mushrooms.
Kessyl glycol
Constituent of the rhizomes of Valeriana officinalis (valerian). Kessyl glycol is found in tea, fats and oils, and herbs and spices. Kessyl glycol is found in fats and oils. Kessyl glycol is a constituent of the rhizomes of Valeriana officinalis (valerian).
(E)-11-Hexadecenoic acid
(E)-11-Hexadecenoic acid is found in herbs and spices. (E)-11-Hexadecenoic acid is isolated from Chrysanthemum vulgare (tansy). Isolated from Chrysanthemum vulgare (tansy). (E)-11-Hexadecenoic acid is found in herbs and spices.
8-Hydroxy-4(6)-lactarene-5,14-diol
8-Hydroxy-4(6)-lactarene-5,14-diol is a constituent of Lactarius piperatus Constituent of Lactarius piperatus
7-Drimene-11,12,14-triol
7-Drimene-11,12,14-triol is found in mushrooms. 7-Drimene-11,12,14-triol is a metabolite of Marasmius oreades (fairy ring mushroom). Metabolite of Marasmius oreades (fairy ring mushroom). 7-Drimene-11,12,14-triol is found in mushrooms.
18-Nor-4(19),8,11,13-abietatetraene
18-Nor-4(19),8,11,13-abietatetraene is isolated from oleoresin of Pinus koraiensis (Korean pine). Isolated from oleoresin of Pinus koraiensis (Korean pine)
(Z)-5-Hexadecenoic acid
(Z)-5-Hexadecenoic acid is found in fruits. (Z)-5-Hexadecenoic acid is isolated from Dioscoreophyllum cumminsii (serendipity berry Isolated from Dioscoreophyllum cumminsii (serendipity berry). (Z)-5-Hexadecenoic acid is found in fruits.
(E)-3-Hexadecenoic acid
(E)-3-Hexadecenoic acid is found in green vegetables. (E)-3-Hexadecenoic acid is a constituent of many plant systems including spinach leaves and red clover (Trifolium pratense). Constituent of many plant systems including spinach leaves and red clover (Trifolium pratense). (E)-3-Hexadecenoic acid is found in tea, herbs and spices, and green vegetables.
5-Dodecyldihydro-2(3H)-furanone
5-Dodecyldihydro-2(3H)-furanone is found in fruits. 5-Dodecyldihydro-2(3H)-furanone is found in pineapple essence and essential oil of parsnip (Pastinaca sativa Found in pineapple essence and essential oil of parsnip (Pastinaca sativa)
(Z)-14-Methyl-6-pentadecenoic acid
(Z)-14-Methyl-6-pentadecenoic acid is found in mollusks. (Z)-14-Methyl-6-pentadecenoic acid is isolated from the freshwater mussel Unio tumidus. Isolated from the freshwater mussel Unio tumidus. (Z)-14-Methyl-6-pentadecenoic acid is found in mollusks.
(Z)-13-Hexadecenoic acid
(Z)-13-Hexadecenoic acid is found in fishes. (Z)-13-Hexadecenoic acid is isolated from herring oi Isolated from herring oil. (Z)-13-Hexadecenoic acid is found in fishes.
15-Hexadecanolide
15-Hexadecanolide is found in herbs and spices. 15-Hexadecanolide is a constituent of Galbanum absolute (from Ferula galbaniflua and Ferula rubicaulis)
Palmitelaidic acid
Palmitelaidic acid is a trans fatty acid (the trans isomer of palmitoleic acid). Trans fatty acids are known to cause changes in plasma lipids and lipoprotein phenotypes, but the mechanisms involved are unknown. The major dietary sources of trans fatty acids are partly hydrogenated vegetable oils, mainly elaidic acid (t-18:1D9). Additional sources are animal and dairy fats [palmitelaidic acid (t-16:1D9) and t-vaccenic acid (t-18:1D11)] and partly hydrogenated fish oils. (very-long-chain trans fatty acids, ie, >C22) (PMID: 9734731). Palmitelaidic acid has been reported as the predominant trans-16:1 isomer in cheeses made with goat and ewe milks (PMID: 11026624). Palmitelaidic acid is a trans fatty acid (the trans isomer of palmitoleic acid). Trans fatty acids are known to cause changes in plasma lipids and lipoprotein phenotypes, but the mechanisms involved are unknown. The major dietary sources of trans fatty acids are partly hydrogenated vegetable oils, mainly elaidic acid (t-18:1D9). Additional sources are animal and dairy fats [palmitelaidic acid (t-16:1D9) and t-vaccenic acid (t-18:1D11)] and partly hydrogenated fish oils
Citronellyl hexanoate
Citronellyl hexanoate is used in food flavouring. It is used in food flavouring
5-Acetoxydihydrotheaespirane
5-Acetoxydihydrotheaespirane is a flavouring ingredient. Flavouring ingredient
FA(16:1)
Palmitoleic acid (FA 16:1), also known as hexadecenoic acid, is a monounsaturated omega-7 fatty acid with a 16-carbon chain and a double bond at the 9th position. In biological terms, palmitoleic acid serves several important functions: 1. **Energy Source:** Like other fatty acids, palmitoleic acid is a significant source of energy. It can be oxidized through beta-oxidation to produce ATP, the energy currency of the cell. 2. **Cell Membrane Structure:** Palmitoleic acid is a component of phospholipids, which are major constituents of cell membranes. The presence of monounsaturated fatty acids like palmitoleic acid helps maintain the fluidity and flexibility of cell membranes, which is crucial for various cellular processes. 3. **Lipid Signaling:** Palmitoleic acid and its derivatives can act as signaling molecules. For example, it is converted into the lipid mediator called palmitoleoyl-lysophosphatidylcholine (LPC), which plays a role in inflammation and blood clotting. 4. **Insulin Sensitivity:** Palmitoleic acid has been shown to improve insulin sensitivity, which is important for glucose metabolism and can help in the prevention and treatment of type 2 diabetes. 5. **Inflammation Modulation:** Some studies suggest that palmitoleic acid may have anti-inflammatory effects, which could be beneficial in reducing the risk of chronic diseases associated with inflammation. 6. **Skin Health:** Palmitoleic acid is naturally present in the skin and is considered a component of the skin's surface lipids, contributing to the skin's barrier function and helping to prevent water loss. 7. **Biosynthesis of Other Lipids:** Palmitoleic acid serves as a precursor for the synthesis of other complex lipids, including prostaglandins and other eicosanoids, which are involved in a wide range of physiological processes such as inflammation and blood pressure regulation. 8. **Cardiovascular Health:** The consumption of monounsaturated fatty acids like palmitoleic acid is often associated with a lower risk of cardiovascular diseases, although the direct role of palmitoleic acid in this context is still under investigation. It's important to note that while palmitoleic acid has these potential biological functions, the overall impact on health can depend on the balance of fatty acids in the diet and the context of the individual's overall metabolic health. Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats. Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats.
Pterocarpdiolone
Isochenopotriol
Longilobol
[3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol
(E,Z,E)-6-(Hydroxymethyl)-2,10-dimethyl-2,6,10-dodecatriene-1,12-diol
Chenopotriol
6alpha,15alpha-Epoxy-1beta,4beta-dihydroxyeudesmane
alpha-Epoxykudtdiol
3-epi-Chenopotriol
5-epi-Kudtriol
2alpha,8alpha,11-trihydroxy-5-epi-eremophil-1(10)-ene
1alpha,10beta,4beta,5alpha-diepoxy-7alphaH-germacran-6beta-ol|6beta-hydroxy-(1alpha,10beta),(4beta,5alpha)-diepoxygermacrane
(-)-(2S,3S,4S,6S,7S)-tremul-1(10)-ene-4,11,12-triol
(-)-3beta,4alpha-dihydroxy-beta-dihydroagarofuran|(3beta,4alpha)-3,4-Dihdroxydihydro-beta-agarofuran|3,4-Dihydroxydihydroagarofuran|3S,4R,5R,7R,10R-3,4-dihydroxy-dihydro-beta-agarofuran
(6,8-Bis-hydroxymethyl-4-isopropyl-7-methylene-bicyclo[3.2.1]oct-1-yl)-methanol
(1R)-1-hydroxybisabololoxide|11-hydroxybisabolol oxide B
(2R*,4S*,5E)-1,4-epoxy-2-hydroxy-7-isopropyl-4-methyl-5-undecen-10-one
6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-ene-2,8-diol
(1beta,3beta,4beta,5E)-5,10(14)-Germacradiene-1,3,4-triol
4-hydroxy-4,5-seco-caryophyllen-5-oic acid|7xi-7-Hydroxy-6,7-seco-3(15)-caryophyllen-6-oic acid
(1beta,6alpha,10alpha)-guai-4(15)-ene-6, 7,10-triol|(3aRS,4RS,5RS,8SR,8aSR)-decahydro-8-methyl-3-methylene-5-(1-methylethyl)azulene-4,5,8-triol
(1(10)E,2beta,5alpha,6beta)-form-1(10),4(15)-Germacradiene-2,5,6-triol
(1R,2R)-dihydroxyisodauc-4-en-14-ol|(1S,3aS,4R,5R,8aR)-1,2,3,3a,4,5,6,8a-octahydro-7-(hydroxymethyl)-3a-methyl-1-(1-methylethyl)-azulene-4,5-diol
(3beta,6alpha,7alpha)-form-3,15-Epoxy-6,7-caryophyllanediol|1beta,12-epoxy-8alpha(S),9alpha(R)-dihydroxycaryophyllene
1beta,2beta-epoxycupara-3beta,4beta-diol|infuscol D
(-)-(2S,3S,6S,7S,9S)-tremul-1(10)-ene-11,12,15-triol
(1R,2R,5S,6S,7R,10S)*-ax-4(15)-ene-1alpha,2beta,7beta-triol
(1(10)E,4alpha,5alpha,6beta,8beta)-4,5-Epoxy-1(10)-germacrene-6,8-diol
3alpha,8alpha-dihydroxy-7beta,10alpha-H-eremophil-11(13)-ene
[1R-(1alpha,2beta,4abeta,7beta,8aalpha)]-Decahydro-2-(1-hydroxy-1-methylethyl)-4a-methyl-8-methylene-1,7-naphthalenediol
1beta,6alpha-dihydroxy-4alpha(15)-epoxyeudesmane|4alpha,15-epoxyeudesmane-1beta,6alpha-diol|4alpha,15-epoxyeudesmene-1beta,6alpha-diol|4??,15-Epoxyeudesmane-1??,6??-diol
(E,E)-3,7,11-trimethyl-1,6,9-dodecatrien-3,5,11-triol|5,11-dihydroxy-8,9-dihydro-9,10-dehydronerolidol
(1R*,2R*,4aR*,7R*)-1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-(1-methylethyl)naphthalene-1,2,7-triol|eudesm-4-ene-3alpha,6alpha,7alpha-triol
1alpha,10beta;4beta,5alpha-diepoxy-7alpha-germacran-6beta-ol
(E)-4-hydroxy-7-isopropyl-4-methylundec-5-ene-2,10-dione|4-Hydroxy-7-isopropyyl-4-methyl-5-undecene-2,10-dione
2-Methyl-3-[(1S,2S)-1,3,3-trimethyl-2-(2-hydroxyethyl)cyclohexyl]tetrahydrofuran
4-(3-hydroxy-1,5-dimethylhexyl)-1-cyclohexene-1-carboxylic acid
(1S,2S,4S,4aR,8aS)-1,2,3,4,4a,7,8,8a-octahydro-6-hydroxymethyl-1-methyl-4-(1-methylethyl)naphthalene-1,2-diol|dendronobilin G
11(13)-eudesmene-3,4,12-triol|3beta-hydroxyilicic alcohol
1beta-hydroxy-6,7alpha-dihydroxyeudesm-4(15)-ene
A eudesmane sesquiterpenoid in which the eudesmane skeleton carries hydroxy substituents at position 1, 6 and 7 and a double bond between C-4 and C-14. It has been isolated from the aerial parts of Tephrosia candida.
(1S,1aR,4R,4aS,6S,7S,7aR,7bS)-decahydro-1-(hydroxymethyl)-1,4,7-trimethyl-1H-cyclopropa[e]azulene-4,6-diol|3beta,13-dihydroxyledol
(1R,4R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-6-(hydroxymethyl)-4-[1-hydroxypropan-2-yl]-1-methylnaphthalen-1-ol|12,15-dihydroxy-alpha-cadinol|agripilol C
negunfurol|rel-(3S,7R,10R)-3,11-dihydroxy-7,10-epoxy-3,7,11-trimethyldodeca-1,5-diene
8-(hydroxymethyl)-1-(2-hydroxy-1-methylethyl)-4-methylspiro[4.5]dec-8-en-7-ol
(1S,3aR,7S,9S,9aR)-decahydro-1,4,7,8-tetramethyl-1H-4,8-epoxycyclopenta[8]annulene-1,9-diol|tuberculariol D
(4aS)-2c-Hydroxy-2t.5.5.8at-tetramethyl-(4arH)-decahydro-naphthoesaeure-(1t)|8-hydroxy-drimanoic acid-(11)|8-Hydroxy-drimansaeure-(11)|8alpha-hydroxy-drimanoic acid|8alpha-hydroxydriman-11-oil acid|diaporol I
7-epi-11-hydroxychabrolidione A|rel-(2S,3S,6R)-6-(2-hydroxypropan-2-yl)-3-methyl-2-(3-oxobutyl)cycloheptanone
1beta,4alpha,7beta-trihydroxy-14beta-methyl-eudesman-11(12)-ene
1alpha,6beta,12-trihydroxy-1betaH,5alphaH,11H-guai-6(7)-ene
muurol-4-ene-1beta,3beta,10beta-triol|rel-(1R,4R,4aS,7R,8aS)-2,3,4,4a,7,8-hexahydro-1,6-dimethyl-4-(1-methylethyl)naphthalene-1,7,8a(1H)-triol
(3E,7E)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol
4alpha,7beta,11-trihydroxy-1betaH,5alphaH-guai-10(14)-ene
rel-(3S,6R,7S,10S)-3,7,11-trimethyl-3,6;7,10-diepoxy-1-dodecen-11-ol
2,2,9-trimethyl-5-methylene-12-oxa-bicyclo[6.3.1]dodecane-4,9-diol
8alpha,9alpha-dihydroxypatchoulol|rel-(4S,6R,7R,8S,8aR)-octahydro-4,8a,9,9-tetramethyl-1,6-methanonaphthalene-1,7,8(2H)-triol
6,7,13-trihydroxy-3,4-dihydro-alpha-ylangene|dendronephthol B
2-[(2R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydro-8,8a-dimethylnaphthalen-2-yl]propane-1,2,3-triol|eremophil-9-ene-11,12,13-triol
4beta,9beta,10alpha-trihydroxy-1alpha,5alpha-H-guaia-6-en
1,15-Di-Ac-3-Hydroxymethyl-7,11-dimethyl-2,6-10-dodecatriene-1,5-diol
(E)-7alphaH-germacra-4,10(14)-diene-1beta,6alpha,11-triol
4alpha,5alpha-epoxy-6alpha-hydroxy amorphan-12-ol|4??,5??-Epoxy-6??-hydroxy amorphan-12-ol
(+)-(1R,5R,6R,7R,10R)-cadinan-4(11)-ene-1,5,12-triol
4alpha-hydroxygermacra-5E,10(14)-dien-1beta-hydroperoxide|nephtheoxydiol
(E,1S,4S,7S,8S)-germacra-5,10(14)-dien-1,4,8-triol
3alpha,8alpha-dihydroxypatchoulol|rel-(3R,4R,6R,7S,8aS)-octahydro-4,8a,9,9-tetramethyl-1,6-methanonaphthalene-1,3,7(2H)-triol
14-methyl-pentadec-4-enoic acid|14-Methyl-pentadec-4-ensaeure
rel-(1R,4S,6R,7S,8aR)-decahydro-1-(hydroxymethyl)-4,9,9-trimethyl- 4,7-(epoxymethano)azulen-6-ol
1,4-Dihydroxy-1,4a-dimethyl-7-[1-(hydroxymethyl)ethenyl]decahydronaphthalene
Spiro-6-(bicyclo[3.2.1]octane)-2-(oxirane), 7,8-di(hydroxymethyl)-5-methyl-2-isopropyl-
(1alpha,4beta,5beta,6beta,7beta,8beta)-10(14)-Guaiene-4,5,8-triol
Chrysanthemdiol A|rel-(2R,4aR,7S,8aR)-octahydro-7-(1-hydroxy-1-methylethyl)-4a-methyl-1-methylenenaphthalene-2,8a(1H)-diol
2beta,12-dihydroxypatchoulol|rel-(2R,4S,6R,8aS)-octahydro-4-(hydroxymethyl)-8a,9,9-trimethyl-1,6-methanonaphthalene-1,2(2H)-diol
(1alpha,10beta)-4-Muurolene-1,10,11-triol|eleganthol
Palmitoleic acid
A hexadec-9-enoic acid in which the double bond at position C-9 has cis configuration. In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. Trans-hexa-dec-2-enoic acid is an intermediate in fatty acid biosynthesis. Specifically, trans-hexa-dec-2-enoic acid converted from (R)-3-Hydroxy-hexadecanoic acid via two enzymes; fatty-acid Synthase and 3- Hydroxypalmitoyl- [acyl-carrier-protein] dehydratase (EC: 2.3.1.85 and EC: 4.2.1.61). [HMDB] Cis-9-palmitoleic acid, also known as palmitoleate or (Z)-9-hexadecenoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, cis-9-palmitoleic acid is considered to be a fatty acid lipid molecule. Cis-9-palmitoleic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Cis-9-palmitoleic acid can be found in a number of food items such as red huckleberry, highbush blueberry, butternut, and macadamia nut (m. tetraphylla), which makes cis-9-palmitoleic acid a potential biomarker for the consumption of these food products. Cis-9-palmitoleic acid can be found primarily in most biofluids, including blood, saliva, feces, and urine, as well as in human adipose tissue, prostate and skeletal muscle tissues. Cis-9-palmitoleic acid exists in all living species, ranging from bacteria to humans. Moreover, cis-9-palmitoleic acid is found to be associated with isovaleric acidemia. CONFIDENCE standard compound; INTERNAL_ID 900; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5949; ORIGINAL_PRECURSOR_SCAN_NO 5948 INTERNAL_ID 900; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5959; ORIGINAL_PRECURSOR_SCAN_NO 5958 CONFIDENCE standard compound; INTERNAL_ID 900; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5959; ORIGINAL_PRECURSOR_SCAN_NO 5958 CONFIDENCE standard compound; INTERNAL_ID 900; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5926; ORIGINAL_PRECURSOR_SCAN_NO 5924 CONFIDENCE standard compound; INTERNAL_ID 900; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5944; ORIGINAL_PRECURSOR_SCAN_NO 5943 CONFIDENCE standard compound; INTERNAL_ID 900; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5997; ORIGINAL_PRECURSOR_SCAN_NO 5996 CONFIDENCE standard compound; INTERNAL_ID 900; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5943; ORIGINAL_PRECURSOR_SCAN_NO 5941 Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats. Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats.
Palmitelaidic acid
A straight-chain, monounsaturated, 16-carbon fatty acid with a trans-double bond at position C-9; the trans-isomer of palmitoleic acid and predominant trans-16:1 isomer in cheeses from goat and ewe milk. Major dietary sources are partly hydrogenated vegetable oils.
Sapienic acid
A hexadecenoic acid in which the double bond is located at position 6 (the Z-geoisomer). A major component of human sebaceous lipids that is involved in skin self-sterilisation and atopic dermatitis amelioration.
8-Hydroxy-4(6)-lactarene-5,14-diol
(3beta,9beta)-7-Drimene-3,11,12-triol
7-Drimene-11,12,14-triol
19-nordehydro-4(18)-Abietene
tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate
1,8-Diazaspiro[5.5]undecan-8-carboxylic acid tert-butyl ester
1,9-Diazaspiro[5.5]undecan-1-carboxylic acid tert-butyl ester
4-PYRROLIDIN-1-YL-PIPERIDINE-1-CARBOXYLIC ACIDTERT-BUTYL ESTER
tert-butyl octahydro-1h-pyrido[3,4-c]azepine-2(3h)-carboxylate
tert-butyl 2,8-diazaspiro[5.5]undecane-2-carboxylate
tert-butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate
1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl ester
1-(2,7-dihydroxy-3a-methyl-6-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-1-yl)ethanone
3-CYCLOPROPYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1H-1,4-Diazepine-1-carboxylic acid, 4-(cyclopropylmethyl)hexahydro-, 1,1-dimethylethyl ester
(1R,4aR,10aS)-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate
tert-Butyl 1,8-diazaspiro[4.6]undecane-1-carboxylate
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
tert-butyl exo-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate
tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
tert-butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate
1,2-bis(ethenyl)benzene,2-methylbuta-1,3-diene,2-methylprop-1-ene
(Z)-hexadec-11-enoic acid
A C16, monounsaturated fatty acid with a double bond at position 11; a key intermediate in silkworm pheromone biosynthesis.
Zoomaric acid
Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats. Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats.
(4Z)-hexadecenoic acid
A hexadecenoic acid with a cis-double bond at position C-4.
(1S,2R,5R,7R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-5,8,11-triol
Decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1-naphthalene ethanol
(E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one
(Z)-14-methylpentadec-2-enoic acid
An alpha,beta-unsaturated monocarboxylic acid that is cis-2-pentadecenoic acid in which one of the hydrogens at position 14 has been replaced by a methyl group.
rel-(1R,2S,5R,6R,7R,8R)-5-isopropyl-2,8-dimethyl-11-oxatricyclo[5.3.1.0(2,6)]undecane-1,8-diol
(1alpha,5alpha)-8alpha-(3-Hydroxy-1-methoxy-1-methylpropyl)-6,6-dimethylbicyclo[3.3.0]octan-2-one
(3S,4R,5S)-4-(tert-Butyldimethylsilyloxy)-3,5-dimethyl-1-heptyne
(Z)-3-Methyl-4-(1-methoxycyclohexyl)-2-butenyltrimethylsilane
8alpha-(3-Hydroxy-1-methoxy-1-methyl)propyl-6,6-dimethyl-1alpha,5alpha-bicyclo(3.3.0)octan-2-one
(E)-hexadec-2-enoic acid
A hexadecenoic acid having a trans-double bond at the 2-position.
Hexadec-9-enoic acid
A hexadecenoic acid in which the double bond is located at position 9.
(3E)-3-hexadecenoic acid
A hexadecenoic acid having a trans-double bond at the 3-position.
(14Z)-hexadecenoic acid
A hexadecenoic acid in which the double bond is located at position 14 and has cis-configuration.
(Z)-hexadec-7-enoic acid
A C16 fatty acid having a (Z)-double bond at the 7-position; marker of early life stage mortality in trout and of physiologically active autotrophic bacteria in complex microbial communities.
methyl cis-10-pentadecenoate
A fatty acid methyl ester resulting from the formal condensation of the carboxy group of cis-10-pentadecenoic acid with the hydroxy group of methanol.
actinopolysporin C
A natural product found in Actinopolyspora erythraea YIM 90600.
(-)-homalomenol C
An organic heterotricyclic compound and sesquiterpenoid that is 11-oxatricyclo[5.3.1.0(2,6)]undecane-1,8-diol which is substituted by methyl groups at positions 5 and 8, and by an isopropyl group at position 5. The absolute stereochemistry is not known; it is either 1R,2S,5R,6R,7R,8R (as shown), or the enantiomer.
1-(hydroxymethyl)-5,5,8a-trimethyl-hexahydro-1h-spiro[naphthalene-2,2'-oxiran]-6-ol
[(1s,4ar,5r,8ar)-5,6-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl]methanol
(2r,4ar,7s,8ar)-7-(2-hydroxypropan-2-yl)-4a-methyl-1-methylidene-hexahydro-2h-naphthalene-2,7-diol
3-methyl-4-(4,6,8-trimethylnonan-2-yl)oxetan-2-one
(1s,2r,3ar,4s,8as)-1-isopropyl-3a,6-dimethyl-2,3,4,7,8,8a-hexahydroazulene-1,2,4-triol
(3e,6e,8r,10r)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol
(3r,5s,6e,9s)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,9-triol
(3e)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one
(1s,3s,5s,6r,8as)-6-isopropyl-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalene-1,3,5-triol
(1s,2s,3s,5r,6r,8s)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecane-3,8-diol
6-hydroxy-2,6-dimethylocta-2,7-dien-1-yl 3-methylbutanoate
(1s,3ar,4r,8as)-4-(hydroxymethyl)-7-isopropyl-1-methyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
3-(hydroxymethyl)-6,6,7b-trimethyl-octahydro-1h-cyclobuta[e]indene-1,4-diol
(5r)-5-[(1s,2r,3s,5s,6s)-2,3-dihydroxy-2-methylbicyclo[3.1.0]hexan-6-yl]-6-methylheptan-2-one
(1r,2r,4ar,5r,8as)-2-isopropyl-4a-methyl-8-methylidene-hexahydro-1h-naphthalene-1,2,5-triol
1a-isopropyl-4,7-dimethyl-hexahydro-2h-azuleno[4,5-b]oxirene-4,7-diol
1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.0²,⁶]dodecane-5,7-diol
(1s,3ar,4s,8as)-4-(hydroxymethyl)-7-isopropyl-1-methyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-hexahydro-2h-naphthalen-1-one
2,3,10,10-tetramethyltricyclo[6.3.0.0²,⁶]undecane-4,6,8-triol
1,7-bis(hydroxymethyl)-1,4-dimethyl-octahydro-1ah-cyclopropa[e]azulen-4-ol
(1r,2s,3as,8ar)-6-(hydroxymethyl)-1-isopropyl-3a-methyl-2,3,4,7,8,8a-hexahydroazulene-1,2-diol
(1s,2r,4as,5s,8ar)-1,5-bis(hydroxymethyl)-1,4a,6-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-ol
2,6,6,9-tetramethyltricyclo[5.4.0.0²,⁹]undecane-5,8,11-triol
8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.0²,⁶]undecane-5,7-diol
5-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid
(3z,4s,5r)-3-decylidene-4-hydroxy-5-methyloxolan-2-one
1,4-bis(hydroxymethyl)-1,7-dimethyl-octahydro-1ah-cyclopropa[e]azulen-4-ol
(1s,3as,4r,7s)-7-isopropyl-1,4-dimethyl-3,4,5,6-tetrahydro-2h-azulene-1,3a,7-triol
2,3,10,10-tetramethyltricyclo[6.3.0.0²,⁶]undecane-4,6,7-triol
(1r,2r,5s,6r,7s,8s,9s)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.0²,⁶]dodecane-5,7-diol
1,2-bis(hydroxymethyl)-6,8a-dimethyl-5-methylidene-hexahydro-1h-naphthalen-2-ol
3a-(hydroxymethyl)-6-(2-hydroxypropan-2-yl)-8a-methyl-hexahydro-1h-azulen-4-one
5-hydroperoxy-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-2-ol
(2r)-2-[(2r,4ar,8ar)-8a-hydroxy-4a-methyl-8-methylidene-hexahydro-1h-naphthalen-2-yl]propane-1,2-diol
5-isopropyl-8-methyl-3-methylidene-hexahydro-1h-azulene-4,5,8-triol
19-nordehydroabiet-4(18)-ene
{"Ingredient_id": "HBIN002202","Ingredient_name": "19-nordehydroabiet-4(18)-ene","Alias": "NA","Ingredient_formula": "C19H26","Ingredient_Smile": "CC(C)C1=CC2=C(C=C1)C3(CCCC(=C)C3CC2)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15727","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
19-nordehydroabiet-4(8)-ene
{"Ingredient_id": "HBIN002203","Ingredient_name": "19-nordehydroabiet-4(8)-ene","Alias": "NA","Ingredient_formula": "C19H26","Ingredient_Smile": "CC(C)C1=CC2=C(C=C1)C3(CCCC(=C)C3CC2)C","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31724","TCMSP_id": "NA","TCM_ID_id": "21359","PubChem_id": "NA","DrugBank_id": "NA"}
